CID 64336

Piperazine, 1-(1-adamantyl)-4-benzyl-, dihydrochloride

Structural Information

Molecular Formula
C21H30N2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C21H30N2/c1-2-4-17(5-3-1)16-22-6-8-23(9-7-22)21-13-18-10-19(14-21)12-20(11-18)15-21/h1-5,18-20H,6-16H2
InChIKey
ZGBDQHJRNAJCHU-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-benzylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2409 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.248176 171.1
[M+Na]+ 333.230118 169.7
[M-H]- 309.233624 167.9
[M+NH4]+ 328.274723 188.6
[M+K]+ 349.204058 163.8
[M+H-H2O]+ 293.238160 157.8
[M+HCOO]- 355.239101 171.5
[M+CH3COO]- 369.254751 175.8
[M+Na-2H]- 331.215566 177.8
[M]+ 310.24035142 164.8
[M]- 310.24144858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.